(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid

C10H12ClFN4O2 — CID 138586322

IUPAC(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1
InChIInChI=1S/C10H12ClFN4O2/c11-8-3-13-4-9(15-8)14-7-1-2-16(10(17)18)5-6(7)12/h3-4,6-7H,1-2,5H2,(H,14,15)(H,17,18)/t6-,7-/m0/s1
InChIKeyUFQGDQAXNHGUSA-BQBZGAKWSA-N
MW274.68 g/mol
LogP1.63
Rot. Bonds2

About (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid

(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid (PubChem CID 138586322) has the molecular formula C10H12ClFN4O2 and a molecular weight of 274.68 g/mol. Its IUPAC name is (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid
PubChem CID138586322
Molecular FormulaC10H12ClFN4O2
Molecular Weight274.68 g/mol
Exact Mass274.06
IUPAC Name(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1
InChIInChI=1S/C10H12ClFN4O2/c11-8-3-13-4-9(15-8)14-7-1-2-16(10(17)18)5-6(7)12/h3-4,6-7H,1-2,5H2,(H,14,15)(H,17,18)/t6-,7-/m0/s1
InChIKeyUFQGDQAXNHGUSA-BQBZGAKWSA-N
XLogP1.63
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid?
The IUPAC name of (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid (CID 138586322) is (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid?
The canonical SMILES for (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid is O=C(O)N1CC[C@H](Nc2cncc(Cl)n2)[C@@H](F)C1.
What is the InChIKey of (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid?
The InChIKey is UFQGDQAXNHGUSA-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H12ClFN4O2/c11-8-3-13-4-9(15-8)14-7-1-2-16(10(17)18)5-6(7)12/h3-4,6-7H,1-2,5H2,(H,14,15)(H,17,18)/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid?
(3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid has a molecular weight of 274.68 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[(6-chloropyrazin-2-yl)amino]-3-fluoropiperidine-1-carboxylic acid is sourced from PubChem (CID 138586322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).